CAS RN: 2070015-10-8

ML 204

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Batchno.20260617 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2070015-10-8
  • Purity/Analytical Methods: >99.0%
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2070015-10-8 / 4-methyl-2-piperidin-1-ylquinoline;hydrochloride

Standard CAS: 2070015-10-8 Multi CAS: No

Basic Information

CAS
2070015-10-8
Multi CAS
No
Molecular Formula
C15H19ClN2
Molecular Weight
262.780000
Exact Mass
262.123676
SMILES
CC1=CC(=NC2=CC=CC=C12)N3CCCCC3.Cl
InChI
InChI=1S/C15H18N2.ClH/c1-12-11-15(17-9-5-2-6-10-17)16-14-8-4-3-7-13(12)14;/h3-4,7-8,11H,2,5-6,9-10H2,1H3;1H
InChIKey
QCABWRXQHZUBPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.79
TPSA
16.13

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
3.96
Consensus LogP
3.8
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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